Geometry & MOs

Info

ID:	434526
PubChem CID:	135175134
Reduced:	SO3N4C25H32 (1)
Stoich.:	AB3C4D25E32 (1)
Weight, g/mol:	491.320665
ΔH_f, kcal/mol:	-89.51
Dipole, Da:	8.38
IP(EA), eV:	-8.87(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[3-(2-methoxyethoxy)propanoylamino]ethoxy]-N-[2-[4-[2-(methylamino)-2-oxoethoxy]butoxy]ethyl]hexanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H]1CSC2=CC=CC=C2N(C1=O)CC(N[C@@H]3CCCC4=CC=CC=C34)O)NC

DOS

IR

Vibrations